CAS 1142210-64-7

Ethyl 5-[[(4-chlorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-carboxylate

Description:

Ethyl 5-[[(4-chlorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-carboxylate is a chemical compound characterized by its unique structure, which includes a thiadiazole ring, an ethyl ester group, and a 4-chlorophenyl amino substituent. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity due to the presence of the thiadiazole moiety, which is known for its applications in pharmaceuticals and agrochemicals. The presence of the chlorophenyl group may enhance lipophilicity and influence the compound's interaction with biological targets. Ethyl esters generally exhibit moderate volatility and solubility in organic solvents, which can affect their reactivity and stability. Additionally, the compound may display specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Overall, this compound's structural features suggest potential utility in medicinal chemistry, although specific biological activities and applications would require further investigation.

Formula: C₁₂H₁₀ClN₃O₃S

InChI: InChI=1S/C12H10ClN3O3S/c1-2-19-12(18)11-16-15-10(20-11)9(17)14-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H,14,17)

InChI key: InChIKey=SMUNPCBDMDONSB-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(Cl)C=C1)(=O)C=2SC(C(OCC)=O)=NN2

Synonyms:

• Ethyl 5-[[(4-chlorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-carboxylate
• 1,3,4-Thiadiazole-2-carboxylic acid, 5-[[(4-chlorophenyl)amino]carbonyl]-, ethyl ester